N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide

C11H15NO4S — CID 102703982

IUPACN-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(CO)ccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C11H15NO4S/c1-16-10-6-8(7-13)2-5-11(10)17(14,15)12-9-3-4-9/h2,5-6,9,12-13H,3-4,7H2,1H3
InChIKeyBMOQGHXHHCXAOP-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.63
Rot. Bonds5

About N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide

N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide (PubChem CID 102703982) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
PubChem CID102703982
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC NameN-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(CO)ccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C11H15NO4S/c1-16-10-6-8(7-13)2-5-11(10)17(14,15)12-9-3-4-9/h2,5-6,9,12-13H,3-4,7H2,1H3
InChIKeyBMOQGHXHHCXAOP-UHFFFAOYSA-N
XLogP0.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-2-methoxy-N-(3-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001705
N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102704121
4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 102704119
2-fluoro-4-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000991
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 102704778
4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide
CID 106086377
4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102704471
N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758409
2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000964
3-methoxy-4-(thian-4-ylsulfamoyl)benzoic acid
CID 102695480

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide (CID 102703982) is N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide is COc1cc(CO)ccc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide?
The InChIKey is BMOQGHXHHCXAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-16-10-6-8(7-13)2-5-11(10)17(14,15)12-9-3-4-9/h2,5-6,9,12-13H,3-4,7H2,1H3.
What are the key properties of N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide?
N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide has a molecular weight of 257.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 102703982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).